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Au_rate
E
Si_rate
age
Time since creation
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
energy
Total energy
eV
fmax
Maximum force
eV/Ang
formula
Chemical formula
id
Uniqe row ID
magmom
Magnetic moment
au
mass
Sum of atomic masses in unit cell
au
natoms
Number of atoms
pbc
Periodic boundary conditions
smax
Maximum stress on unit cell
eV/Ang
3
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 2051-8 out of 8
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
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200
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ID
✕
Formula
✕
2051
Au
10
Si
4
2052
Au
10
Si
4
2053
Au
10
Si
4
2054
Au
10
Si
4
2055
Au
10
Si
4
2056
Au
10
Si
4
2057
Au
10
Si
4
2058
Au
10
Si
4
2059
Au
10
Si
4
2060
Au
10
Si
4
2061
Au
10
Si
4
2062
Au
10
Si
4
2063
Au
10
Si
4
2064
Au
10
Si
4
2065
Au
10
Si
4
2066
Au
10
Si
4
2067
Au
10
Si
4
2068
Au
10
Si
4
2069
Au
10
Si
4
2070
Au
10
Si
4
2071
Au
16
Si
8
2072
Au
16
Si
8
2073
Au
16
Si
8
2074
Au
16
Si
8
2075
Au
16
Si
8
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